Detailed information for compound 1806360

Basic information

Technical information
  • TDR Targets ID: 1806360
  • Name: 4-chloro-1-(4-chloro-2-fluoro-5-prop-2-ynoxyp henyl)-3,5-diethylpyrazole
  • MW: 341.208 | Formula: C16H15Cl2FN2O
  • H donors: 0 H acceptors: 1 LogP: 5 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCOc1cc(c(cc1Cl)F)n1nc(c(c1CC)Cl)CC
  • InChi: 1S/C16H15Cl2FN2O/c1-4-7-22-15-9-14(11(19)8-10(15)17)21-13(6-3)16(18)12(5-2)20-21/h1,8-9H,5-7H2,2-3H3
  • InChiKey: ASQZZQIJHXYUJF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-chloro-1-(4-chloro-2-fluoro-5-prop-2-ynoxy-phenyl)-3,5-diethyl-pyrazole
  • 4-chloro-1-(4-chloro-2-fluoro-5-propargyloxy-phenyl)-3,5-diethyl-pyrazole
  • 106123-67-5

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni multidrug resistance protein 0.0029 0.4204 0.4204
Brugia malayi ABC transporter family protein 0.0017 0.0198 0.0198
Trichomonas vaginalis abcb9, putative 0.0047 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0029 0.4204 0.4087
Trypanosoma brucei trans-sialidase, putative 0.003 0.4547 0.574
Echinococcus multilocularis multidrug resistance protein 1 0.003 0.4523 0.4413
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4547 0.574
Echinococcus multilocularis ATP binding cassette sub family B 0.0046 0.9802 0.9798
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.004 0.7775 0.7775
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0017 0.0198 0.5
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0017 0.0198 0.5
Brugia malayi ABC transporter family protein 0.0017 0.0198 0.0198
Echinococcus multilocularis multidrug resistance associated protein 7 0.0029 0.4204 0.4087
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4547 0.574
Brugia malayi P-glycoprotein-like protein 0.0017 0.0198 0.0198
Echinococcus multilocularis multidrug resistance associated protein 1 0.0029 0.4204 0.4087
Loa Loa (eye worm) ABC transporter 0.0017 0.0198 0.0198
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0046 0.9802 0.9802
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0047 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0029 0.4204 0.4087
Leishmania major p-glycoprotein 0.0047 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Entamoeba histolytica P-glycoprotein-5 0.0047 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4547 0.574
Entamoeba histolytica ATP-binding cassette protein, putative 0.0029 0.4204 0.4204
Leishmania major pentamidine resistance protein 1 0.0029 0.4204 0.4087
Brugia malayi ABC transporter transmembrane region family protein 0.0017 0.0198 0.0198
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4545 0.5738
Loa Loa (eye worm) ABC transporter 0.0017 0.0198 0.0198
Schistosoma mansoni smdr2 0.0047 1 1
Trichomonas vaginalis ABC transporter, putative 0.0047 1 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0029 0.4204 0.4204
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0047 1 1
Echinococcus granulosus multidrug resistance protein 1 0.003 0.4523 0.4523
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0017 0.0198 0.0198
Brugia malayi hypothetical protein 0.0017 0.0198 0.0198
Entamoeba histolytica P-glycoprotein-1 0.0047 1 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0017 0.0198 0.5
Echinococcus granulosus multidrug resistance protein 1 0.003 0.4523 0.4523
Echinococcus multilocularis multidrug resistance protein 1 0.0047 1 1
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0047 1 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.004 0.7775 0.773
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.004 0.7775 0.7775
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0047 1 1
Brugia malayi ubiquitin conjugating enzyme protein 13 0.004 0.7775 0.7775
Echinococcus granulosus multidrug resistance protein 1 0.0047 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0029 0.4204 0.4087
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0047 1 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0047 1 1
Plasmodium falciparum multidrug resistance protein 1 0.0047 1 1
Trypanosoma brucei trans-sialidase, putative 0.003 0.4547 0.574
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4547 0.574
Entamoeba histolytica hypothetical protein 0.0029 0.4204 0.4204
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0029 0.4204 0.4087
Trypanosoma brucei trans-sialidase, putative 0.003 0.4547 0.574
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0047 1 1
Leishmania major p-glycoprotein e 0.0029 0.4204 0.4087
Giardia lamblia Multidrug resistance-associated protein 1 0.0029 0.4204 1
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0047 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0029 0.4204 0.5288
Trypanosoma brucei trans-sialidase 0.003 0.4547 0.574
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0029 0.4204 0.5288
Entamoeba histolytica multidrug resistance protein, putative 0.0029 0.4204 0.4204
Trypanosoma brucei trans-sialidase, putative 0.003 0.4547 0.574
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0047 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.4007 0.4007
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0017 0.0198 0.5
Trypanosoma cruzi multidrug resistance protein E, putative 0.0029 0.4204 0.5288
Loa Loa (eye worm) hypothetical protein 0.0029 0.4204 0.4204
Echinococcus granulosus multidrug resistance protein 1 0.0047 1 1
Onchocerca volvulus 0.0047 1 0.5
Schistosoma mansoni multidrug resistance protein 0.0029 0.4204 0.4204
Schistosoma mansoni multidrug resistance protein 0.0029 0.4204 0.4204
Trypanosoma brucei ubiquitin-protein ligase, putative 0.004 0.7775 1
Schistosoma mansoni multidrug resistance protein 0.0017 0.0198 0.0198
Schistosoma mansoni multidrug resistance protein 0.0047 1 1
Echinococcus granulosus ATP binding cassette sub family B 0.0017 0.0198 0.0198
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0047 1 1
Brugia malayi ABC transporter family protein 0.0047 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4547 0.574
Loa Loa (eye worm) multidrug resistance protein 3 0.0047 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4547 0.574
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.004 0.7775 0.7775
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4547 0.574
Trichomonas vaginalis ABC transporter, putative 0.0047 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0047 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0047 1 1
Entamoeba histolytica ABC transporter, putative 0.0029 0.4204 0.4204
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0198 0.0198
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0047 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0029 0.4204 0.4087
Giardia lamblia MRP-like ABC transporter 0.0029 0.4204 1
Loa Loa (eye worm) hypothetical protein 0.0047 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4547 0.574
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0017 0.0198 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4547 0.574
Brugia malayi ABC transporter 0.0017 0.0198 0.0198
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.004 0.7775 0.7775
Trichomonas vaginalis ABC transporter, putative 0.0047 1 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0017 0.0198 0.5
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.004 0.7775 0.7775
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0047 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0047 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Trypanosoma brucei p-glycoprotein 0.0029 0.4204 0.5288
Trypanosoma brucei multidrug resistance protein E 0.0029 0.4204 0.5288
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.004 0.7775 0.773
Echinococcus granulosus multidrug resistance associated protein 7 0.0029 0.4204 0.4204
Brugia malayi multidrug resistance related protein 1 0.0029 0.4204 0.4204
Schistosoma mansoni multidrug resistance protein 0.0029 0.4204 0.4204
Entamoeba histolytica P-glycoprotein-2 0.0047 1 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0029 0.4204 0.4204
Entamoeba histolytica P-glycoprotein-2 0.0047 1 1
Brugia malayi ABC transporter transmembrane region family protein 0.0029 0.4204 0.4204
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4547 0.574
Schistosoma mansoni multidrug resistance protein 0.0047 1 1
Giardia lamblia ABC transporter, putative 0.0029 0.4204 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Brugia malayi ABC transporter family protein 0.0017 0.0198 0.0198
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0047 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.003 0.4523 0.4523
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0047 1 1
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0029 0.4204 0.4204
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.004 0.7775 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0029 0.4204 0.4204
Loa Loa (eye worm) hypothetical protein 0.0047 1 1
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0017 0.0198 0.0198
Entamoeba histolytica P-glycoprotein 6, putative 0.0017 0.0198 0.0198
Giardia lamblia Multidrug resistance-associated protein 1 0.0029 0.4007 0.9529
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0029 0.4204 0.5288
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0047 1 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0047 1 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0029 0.4204 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0047 1 1
Trichomonas vaginalis ABC transporter, putative 0.0047 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0047 1 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.004 0.7775 0.773
Loa Loa (eye worm) ABC transporter 0.0017 0.0198 0.0198
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4545 0.5738
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.004 0.7775 0.7775
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0047 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4547 0.574
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4547 0.574
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0047 1 1
Echinococcus granulosus multidrug resistance protein 1 0.0047 1 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.004 0.7775 0.7775
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.004 0.7775 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0029 0.4204 0.5288
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0047 1 1
Entamoeba histolytica P-glyco protein 6, putative 0.0047 1 1
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.004 0.7775 0.773
Trichomonas vaginalis abcb9, putative 0.0047 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4547 0.574
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0017 0.0198 0.5
Leishmania major ABC-thiol transporter 0.0029 0.4204 0.4087
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0047 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Trichomonas vaginalis abcb9, putative 0.0047 1 1
Trypanosoma brucei trans-sialidase, putative 0.003 0.4547 0.574
Loa Loa (eye worm) hypothetical protein 0.0029 0.4204 0.4204
Plasmodium vivax multidrug resistance protein 1, putative 0.0047 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.0047 1 1
Schistosoma mansoni smdr1 0.0017 0.0198 0.0198
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0017 0.0198 0.0198
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0017 0.0198 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0047 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.003 0.4547 0.574
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.004 0.7775 0.7775
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4545 0.5738
Echinococcus granulosus ATP binding cassette sub family B 0.0017 0.0198 0.0198
Schistosoma mansoni multidrug resistance protein 0.0047 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.9802 0.9802
Trypanosoma cruzi trans-sialidase, putative 0.003 0.4545 0.5738
Entamoeba histolytica ATP-binding cassette protein, putative 0.0029 0.4204 0.4204
Entamoeba histolytica P-glycoprotein 6, putative 0.0017 0.0198 0.0198
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.004 0.7775 0.773
Trichomonas vaginalis taga, putative 0.0047 1 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0017 0.0198 0.5

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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